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401629-04-7 | 3-CYCLOPROPYLPYRAZOLE-5-CARBOXYLIC ACID
CAS No: 401629-04-7 Catalog No: AG00C8EE MDL No:MFCD04967194
Product Description
Catalog Number:
AG00C8EE
Chemical Name:
3-CYCLOPROPYLPYRAZOLE-5-CARBOXYLIC ACID
CAS Number:
401629-04-7
Molecular Formula:
C7H8N2O2
Molecular Weight:
152.1506
MDL Number:
MFCD04967194
IUPAC Name:
5-cyclopropyl-1H-pyrazole-3-carboxylic acid
InChI:
InChI=1S/C7H8N2O2/c10-7(11)6-3-5(8-9-6)4-1-2-4/h3-4H,1-2H2,(H,8,9)(H,10,11)
InChI Key:
GNWMHLBUCXEXPE-UHFFFAOYSA-N
SMILES:
OC(=O)c1n[nH]c(c1)C1CC1
Properties
Complexity:
179
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
152.059g/mol
Formal Charge:
0
Heavy Atom Count:
11
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
152.153g/mol
Monoisotopic Mass:
152.059g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
66A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.7
Literature
| Title | Journal |
|---|---|
| Fluorinated pyrazole acids are agonists of the high affinity niacin receptor GPR109a. | Bioorganic & medicinal chemistry letters 20071015 |
| Agonist lead identification for the high affinity niacin receptor GPR109a. | Bioorganic & medicinal chemistry letters 20070901 |
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